N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide

C19H19N5OS — CID 51352663

IUPACN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C19H19N5OS/c1-11-18(26-23-21-11)19(25)20-14-6-8-15(9-7-14)24-17(13-4-5-13)10-16(22-24)12-2-3-12/h6-10,12-13H,2-5H2,1H3,(H,20,25)
InChIKeyDUFHAWGLGXXRBG-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide

N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 51352663) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID51352663
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C19H19N5OS/c1-11-18(26-23-21-11)19(25)20-14-6-8-15(9-7-14)24-17(13-4-5-13)10-16(22-24)12-2-3-12/h6-10,12-13H,2-5H2,1H3,(H,20,25)
InChIKeyDUFHAWGLGXXRBG-UHFFFAOYSA-N
XLogP4.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide (CID 51352663) is N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1.
What is the InChIKey of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is DUFHAWGLGXXRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-11-18(26-23-21-11)19(25)20-14-6-8-15(9-7-14)24-17(13-4-5-13)10-16(22-24)12-2-3-12/h6-10,12-13H,2-5H2,1H3,(H,20,25).
What are the key properties of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 51352663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).